1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile

C14H21N3S — CID 74248005

IUPAC1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
SMILESCN(C)Cc1csc(CN2CCCC(C#N)C2)c1
InChIInChI=1S/C14H21N3S/c1-16(2)8-13-6-14(18-11-13)10-17-5-3-4-12(7-15)9-17/h6,11-12H,3-5,8-10H2,1-2H3
InChIKeyQPYKJTULDLHXMG-UHFFFAOYSA-N
MW263.41 g/mol
LogP2.55
Rot. Bonds4

About 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile (PubChem CID 74248005) has the molecular formula C14H21N3S and a molecular weight of 263.41 g/mol. Its IUPAC name is 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
PubChem CID74248005
Molecular FormulaC14H21N3S
Molecular Weight263.41 g/mol
Exact Mass263.15
IUPAC Name1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile
SMILESCN(C)Cc1csc(CN2CCCC(C#N)C2)c1
InChIInChI=1S/C14H21N3S/c1-16(2)8-13-6-14(18-11-13)10-17-5-3-4-12(7-15)9-17/h6,11-12H,3-5,8-10H2,1-2H3
InChIKeyQPYKJTULDLHXMG-UHFFFAOYSA-N
XLogP2.55
TPSA30.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.41
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-N,N-dimethylazepan-4-amine
CID 74251551
[(2R)-4-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-1-methylpiperazin-2-yl]methanol
CID 99929213
1-[5-[[4-(ethoxymethyl)piperidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77082788
1-benzylpiperidine-3-carbonitrile
CID 22931257
(3S)-1-benzylpiperidine-3-carbonitrile
CID 86315096
N,N-dimethyl-1-[5-[[4-(pyridin-3-ylmethyl)-1,4-diazepan-1-yl]methyl]thiophen-3-yl]methanamine
CID 77092563
1-[5-[[3-(4-fluorophenoxy)azetidin-1-yl]methyl]thiophen-3-yl]-N,N-dimethylmethanamine
CID 77095979
(5S)-9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 95873408
9-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]-3-methyl-1-oxa-3,9-diazaspiro[4.5]decan-2-one
CID 56900091
1-(1,3-oxazol-4-ylmethyl)piperidine-3-carbonitrile
CID 123687188
ethyl 4-[1-[[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-3-yl]piperazine-1-carboxylate
CID 45228014
N,N-dimethyl-1-[1-[[4-(piperidin-1-ylmethyl)thiophen-2-yl]methyl]piperidin-4-yl]ethanamine
CID 70711258

Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile (CID 74248005) is 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile is CN(C)Cc1csc(CN2CCCC(C#N)C2)c1.
What is the InChIKey of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile?
The InChIKey is QPYKJTULDLHXMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3S/c1-16(2)8-13-6-14(18-11-13)10-17-5-3-4-12(7-15)9-17/h6,11-12H,3-5,8-10H2,1-2H3.
What are the key properties of 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile?
1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile has a molecular weight of 263.41 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(dimethylamino)methyl]thiophen-2-yl]methyl]piperidine-3-carbonitrile is sourced from PubChem (CID 74248005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).